CAS 34810-67-8 | 2-(1H-Pyrazol-5-yl)phenol | CAS Number 34810-67-8

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34810-67-8 | 2-(1H-Pyrazol-5-yl)phenol

CAS No: 34810-67-8 Catalog No: AG003F4D MDL No:MFCD05863242

Product Description

Catalog Number:

AG003F4D

Chemical Name:

2-(1H-Pyrazol-5-yl)phenol

CAS Number:

34810-67-8

Molecular Formula:

C9H8N2O

Molecular Weight:

160.1726

MDL Number:

MFCD05863242

IUPAC Name:

2-(1H-pyrazol-5-yl)phenol

InChI:

InChI=1S/C9H8N2O/c12-9-4-2-1-3-7(9)8-5-6-10-11-8/h1-6,12H,(H,10,11)

InChI Key:

LKTJPAUDNOBJAZ-UHFFFAOYSA-N

SMILES:

Oc1ccccc1c1[nH]ncc1

EC Number:

252-222-4

Properties

Complexity:

152

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

160.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

160.176g/mol

Monoisotopic Mass:

160.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

48.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

Literature

Title	Journal
Highly efficient redox isomerisation of allylic alcohols catalysed by pyrazole-based ruthenium(IV) complexes in water: mechanisms of bifunctional catalysis in water.	Chemistry (Weinheim an der Bergstrasse, Germany) 20120618
Synthesis and structure of ruthenium(IV) complexes featuring N-heterocyclic ligands with an N-H group as the hydrogen-bond donor: hydrogen interactions in solution and in the solid state.	Inorganic chemistry 20110606
Self-assembly of high-nuclearity copper cages: tricorne Cu21 and saddlelike cyclic Cu16.	Chemistry (Weinheim an der Bergstrasse, Germany) 20090101